3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine

C19H22N2O — CID 154879820

IUPAC3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine
SMILESCc1cc(-c2cccnc2)ccc1OCC1CN1C1CCC1
InChIInChI=1S/C19H22N2O/c1-14-10-15(16-4-3-9-20-11-16)7-8-19(14)22-13-18-12-21(18)17-5-2-6-17/h3-4,7-11,17-18H,2,5-6,12-13H2,1H3
InChIKeyBYDNQUCXNPNCFW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.67
Rot. Bonds5

About 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine

3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine (PubChem CID 154879820) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine.

Molecular Properties

Compound Name3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine
PubChem CID154879820
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine
SMILESCc1cc(-c2cccnc2)ccc1OCC1CN1C1CCC1
InChIInChI=1S/C19H22N2O/c1-14-10-15(16-4-3-9-20-11-16)7-8-19(14)22-13-18-12-21(18)17-5-2-6-17/h3-4,7-11,17-18H,2,5-6,12-13H2,1H3
InChIKeyBYDNQUCXNPNCFW-UHFFFAOYSA-N
XLogP3.67
TPSA25.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine
CID 154881085
[4-(4-ethoxy-3-methylphenyl)-2-methylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67435954
N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide
CID 154880996
2-methyl-4-pyridin-3-ylpyridine;propane
CID 144569163
3-(4-iodo-3-methylphenyl)pyridine
CID 46315924
(2-methyl-5-pyridin-3-ylphenyl)methanol
CID 153475584
(2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate
CID 174441849
3-(5-ethoxy-2-methoxy-4-methylphenyl)pyridine
CID 159955267
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
1-[3-chloro-2-[(2-methyl-4-pyridin-3-ylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 121336359
2,3-dimethyl-5-pyridin-3-ylpyridine
CID 122608541
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine?
The IUPAC name of 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine (CID 154879820) is 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine.
What is the SMILES notation for 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine?
The canonical SMILES for 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine is Cc1cc(-c2cccnc2)ccc1OCC1CN1C1CCC1.
What is the InChIKey of 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine?
The InChIKey is BYDNQUCXNPNCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-10-15(16-4-3-9-20-11-16)7-8-19(14)22-13-18-12-21(18)17-5-2-6-17/h3-4,7-11,17-18H,2,5-6,12-13H2,1H3.
What are the key properties of 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine?
3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine has a molecular weight of 294.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]-3-methylphenyl]pyridine is sourced from PubChem (CID 154879820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).